| SpectraBase Spectrum ID |
GJfQbkPNUV9 |
| Name |
6-Hydroxy-17-oxo-4-propyl-3,4-seco-5.beta.-androstan-3-oic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-4-5-6-7-11-22(3)16-10-12-21(2)15(8-9-18(21)24)14(16)13-17(23)19(22)20(25)26/h14-17,19,23H,4-13H2,1-3H3,(H,25,26) |
| InChIKey |
LMSOQBFLIYIFKX-UHFFFAOYSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C(CCC1(C(C(=O)O)C(CC2C1CCC1(C2CCC1=O)C)O)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85086 |
